4,6-bis(4-fluorophenyl)-2-phenyl-1,2-lbhydro-3H-indazol-3-one | 1347753-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,6-bis(4-fluorophenyl)-2-phenyl-1,2-lbhydro-3H-indazol-3-one
• 英文别名: 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one；4,6-bis(4-fluorophenyl)-2-phenyl-1H-indazol-3-one
• CAS: 1347753-34-7
• 化学式: C₂₅H₁₆F₂N₂O
• 分子量: 398.412
• InChiKey: CJOTYGVLFYLXTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate 、 苯肼 在 硫酸 、 溶剂黄146 作用下， 反应 8.0h， 以58%的产率得到4,6-bis(4-fluorophenyl)-2-phenyl-1,2-lbhydro-3H-indazol-3-one
  参考文献：
  名称：

  A study on the reactions of alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and in vitro antioxidant activity of derivatives

  摘要：

  New functionalized derivatives were prepared using alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate as a building block. Newly prepared compounds were well characterized using H-1 NMR, IR, and mass spectral data. All the synthesized products were screened for their antioxidant properties. Among the tested compounds, indazole derivatives exhibited noticeable DPPH radical scavenging activity and reducing power capacity in comparison with the standard Glutathione.

  DOI：

  10.1007/s00044-012-0304-7